USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 308 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.273) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 50 THR OG1 : rot -86:sc= 0.796! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1.2) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 57 CYS SG : rot 108:sc= 0.573 USER MOD Single : A 62 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-0.18) USER MOD Single : A 64 CYS SG : rot -60:sc= -2.63 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.330 -10.321 9.985 1.00 0.00 N ATOM 528 CA ALA A 37 -5.241 -9.797 11.337 1.00 0.00 C ATOM 529 C ALA A 37 -3.972 -8.952 11.469 1.00 0.00 C ATOM 530 O ALA A 37 -4.022 -7.824 11.957 1.00 0.00 O ATOM 531 CB ALA A 37 -5.276 -10.955 12.337 1.00 0.00 C ATOM 0 HA ALA A 37 -6.092 -9.152 11.555 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.209 -10.562 13.351 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.209 -11.507 12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.435 -11.622 12.150 1.00 0.00 H new ATOM 537 N ASP A 38 -2.866 -9.530 11.025 1.00 0.00 N ATOM 538 CA ASP A 38 -1.586 -8.843 11.086 1.00 0.00 C ATOM 539 C ASP A 38 -1.750 -7.420 10.550 1.00 0.00 C ATOM 540 O ASP A 38 -1.587 -6.451 11.290 1.00 0.00 O ATOM 541 CB ASP A 38 -0.538 -9.555 10.229 1.00 0.00 C ATOM 542 CG ASP A 38 -0.338 -11.037 10.549 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.107 -11.335 11.741 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.422 -11.840 9.595 1.00 0.00 O ATOM 0 H ASP A 38 -2.829 -10.466 10.621 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.256 -8.835 12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.823 -9.461 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.416 -9.041 10.348 1.00 0.00 H new ATOM 549 N PHE A 39 -2.069 -7.339 9.266 1.00 0.00 N ATOM 550 CA PHE A 39 -2.256 -6.050 8.622 1.00 0.00 C ATOM 551 C PHE A 39 -3.259 -5.191 9.395 1.00 0.00 C ATOM 552 O PHE A 39 -3.042 -3.995 9.582 1.00 0.00 O ATOM 553 CB PHE A 39 -2.811 -6.326 7.223 1.00 0.00 C ATOM 554 CG PHE A 39 -3.165 -5.063 6.434 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.183 -4.203 6.051 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.461 -4.802 6.116 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.512 -3.032 5.318 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.789 -3.630 5.383 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.808 -2.770 5.000 1.00 0.00 C ATOM 0 H PHE A 39 -2.203 -8.145 8.655 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.309 -5.511 8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.077 -6.901 6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.702 -6.948 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.154 -4.411 6.304 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.240 -5.485 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.733 -2.349 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.818 -3.422 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.058 -1.879 4.443 1.00 0.00 H new ATOM 569 N GLU A 40 -4.335 -5.834 9.822 1.00 0.00 N ATOM 570 CA GLU A 40 -5.372 -5.144 10.571 1.00 0.00 C ATOM 571 C GLU A 40 -4.772 -4.459 11.800 1.00 0.00 C ATOM 572 O GLU A 40 -4.911 -3.249 11.970 1.00 0.00 O ATOM 573 CB GLU A 40 -6.492 -6.106 10.971 1.00 0.00 C ATOM 574 CG GLU A 40 -7.543 -6.215 9.864 1.00 0.00 C ATOM 575 CD GLU A 40 -8.264 -4.881 9.659 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.229 -4.636 10.414 1.00 0.00 O ATOM 577 OE2 GLU A 40 -7.833 -4.137 8.752 1.00 0.00 O ATOM 0 H GLU A 40 -4.512 -6.826 9.664 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.808 -4.378 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.074 -7.091 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.962 -5.760 11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.066 -6.521 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.267 -6.988 10.120 1.00 0.00 H new ATOM 584 N GLU A 41 -4.118 -5.263 12.626 1.00 0.00 N ATOM 585 CA GLU A 41 -3.497 -4.749 13.835 1.00 0.00 C ATOM 586 C GLU A 41 -2.587 -3.565 13.502 1.00 0.00 C ATOM 587 O GLU A 41 -2.554 -2.578 14.235 1.00 0.00 O ATOM 588 CB GLU A 41 -2.722 -5.849 14.563 1.00 0.00 C ATOM 589 CG GLU A 41 -3.383 -6.194 15.899 1.00 0.00 C ATOM 590 CD GLU A 41 -2.708 -5.449 17.053 1.00 0.00 C ATOM 591 OE1 GLU A 41 -3.128 -4.300 17.309 1.00 0.00 O ATOM 592 OE2 GLU A 41 -1.788 -6.047 17.652 1.00 0.00 O ATOM 0 H GLU A 41 -4.005 -6.266 12.482 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.283 -4.400 14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.673 -6.740 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.696 -5.523 14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.441 -5.934 15.863 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.324 -7.269 16.071 1.00 0.00 H new ATOM 599 N LYS A 42 -1.870 -3.704 12.396 1.00 0.00 N ATOM 600 CA LYS A 42 -0.962 -2.658 11.957 1.00 0.00 C ATOM 601 C LYS A 42 -1.755 -1.375 11.699 1.00 0.00 C ATOM 602 O LYS A 42 -1.445 -0.326 12.262 1.00 0.00 O ATOM 603 CB LYS A 42 -0.145 -3.129 10.752 1.00 0.00 C ATOM 604 CG LYS A 42 0.955 -4.102 11.182 1.00 0.00 C ATOM 605 CD LYS A 42 2.055 -4.188 10.122 1.00 0.00 C ATOM 606 CE LYS A 42 3.217 -5.057 10.608 1.00 0.00 C ATOM 607 NZ LYS A 42 4.512 -4.466 10.203 1.00 0.00 N ATOM 0 H LYS A 42 -1.900 -4.525 11.791 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.235 -2.432 12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.802 -3.613 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.300 -2.269 10.251 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.383 -3.777 12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.527 -5.091 11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.646 -4.603 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.418 -3.187 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.178 -5.153 11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.124 -6.062 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.283 -4.923 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.656 -4.612 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.508 -3.447 10.410 1.00 0.00 H new ATOM 621 N VAL A 43 -2.762 -1.501 10.847 1.00 0.00 N ATOM 622 CA VAL A 43 -3.601 -0.365 10.508 1.00 0.00 C ATOM 623 C VAL A 43 -3.934 0.417 11.780 1.00 0.00 C ATOM 624 O VAL A 43 -3.677 1.617 11.861 1.00 0.00 O ATOM 625 CB VAL A 43 -4.846 -0.840 9.755 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.878 0.284 9.638 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.476 -1.390 8.376 1.00 0.00 C ATOM 0 H VAL A 43 -3.015 -2.373 10.382 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.072 0.314 9.839 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.296 -1.650 10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.753 -0.080 9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.176 0.610 10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.442 1.124 9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.379 -1.721 7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.991 -0.609 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.795 -2.233 8.491 1.00 0.00 H new ATOM 637 N LYS A 44 -4.501 -0.296 12.743 1.00 0.00 N ATOM 638 CA LYS A 44 -4.871 0.315 14.008 1.00 0.00 C ATOM 639 C LYS A 44 -3.654 1.028 14.600 1.00 0.00 C ATOM 640 O LYS A 44 -3.742 2.190 14.994 1.00 0.00 O ATOM 641 CB LYS A 44 -5.491 -0.724 14.944 1.00 0.00 C ATOM 642 CG LYS A 44 -7.005 -0.812 14.740 1.00 0.00 C ATOM 643 CD LYS A 44 -7.641 -1.767 15.753 1.00 0.00 C ATOM 644 CE LYS A 44 -9.003 -2.260 15.261 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.354 -3.543 15.910 1.00 0.00 N ATOM 0 H LYS A 44 -4.713 -1.291 12.672 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.641 1.071 13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.039 -1.699 14.762 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.275 -0.461 15.979 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.447 0.179 14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.220 -1.154 13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.981 -2.618 15.920 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.758 -1.261 16.711 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.767 -1.514 15.479 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.981 -2.387 14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.281 -3.864 15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.633 -4.257 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.395 -3.411 16.941 1.00 0.00 H new ATOM 659 N GLN A 45 -2.547 0.302 14.645 1.00 0.00 N ATOM 660 CA GLN A 45 -1.314 0.851 15.183 1.00 0.00 C ATOM 661 C GLN A 45 -1.010 2.205 14.539 1.00 0.00 C ATOM 662 O GLN A 45 -0.596 3.142 15.220 1.00 0.00 O ATOM 663 CB GLN A 45 -0.150 -0.122 14.988 1.00 0.00 C ATOM 664 CG GLN A 45 0.216 -0.810 16.305 1.00 0.00 C ATOM 665 CD GLN A 45 1.165 0.059 17.133 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.376 -0.002 17.003 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.548 0.869 17.989 1.00 0.00 N ATOM 0 H GLN A 45 -2.478 -0.662 14.318 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.444 1.001 16.255 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.419 -0.872 14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.716 0.415 14.601 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.689 -1.013 16.877 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.685 -1.772 16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.470 0.870 18.047 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.093 1.489 18.587 1.00 0.00 H new ATOM 676 N LEU A 46 -1.227 2.266 13.233 1.00 0.00 N ATOM 677 CA LEU A 46 -0.982 3.490 12.490 1.00 0.00 C ATOM 678 C LEU A 46 -1.880 4.602 13.036 1.00 0.00 C ATOM 679 O LEU A 46 -1.420 5.719 13.267 1.00 0.00 O ATOM 680 CB LEU A 46 -1.148 3.247 10.988 1.00 0.00 C ATOM 681 CG LEU A 46 0.088 2.722 10.253 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.259 2.316 8.820 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.228 3.741 10.301 1.00 0.00 C ATOM 0 H LEU A 46 -1.570 1.487 12.671 1.00 0.00 H new ATOM 0 HA LEU A 46 0.049 3.818 12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.962 2.537 10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.454 4.183 10.520 1.00 0.00 H new ATOM 0 HG LEU A 46 0.437 1.826 10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.636 1.947 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.015 1.531 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.646 3.181 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.094 3.343 9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.907 4.668 9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.496 3.938 11.339 1.00 0.00 H new ATOM 695 N ILE A 47 -3.145 4.257 13.225 1.00 0.00 N ATOM 696 CA ILE A 47 -4.112 5.213 13.739 1.00 0.00 C ATOM 697 C ILE A 47 -3.695 5.647 15.146 1.00 0.00 C ATOM 698 O ILE A 47 -3.626 6.840 15.436 1.00 0.00 O ATOM 699 CB ILE A 47 -5.526 4.634 13.669 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.125 4.819 12.273 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.418 5.232 14.759 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.451 4.067 12.141 1.00 0.00 C ATOM 0 H ILE A 47 -3.523 3.330 13.032 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.128 6.110 13.119 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.466 3.562 13.855 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.284 5.880 12.079 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.422 4.459 11.521 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.418 4.803 14.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.996 5.007 15.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.476 6.313 14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.855 4.215 11.140 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.285 3.003 12.311 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.159 4.446 12.878 1.00 0.00 H new ATOM 714 N ASP A 48 -3.427 4.655 15.982 1.00 0.00 N ATOM 715 CA ASP A 48 -3.018 4.919 17.351 1.00 0.00 C ATOM 716 C ASP A 48 -1.726 5.739 17.344 1.00 0.00 C ATOM 717 O ASP A 48 -1.575 6.673 18.129 1.00 0.00 O ATOM 718 CB ASP A 48 -2.748 3.617 18.107 1.00 0.00 C ATOM 719 CG ASP A 48 -3.765 3.280 19.199 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.905 2.929 18.824 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.380 3.381 20.384 1.00 0.00 O ATOM 0 H ASP A 48 -3.485 3.666 15.738 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.824 5.461 17.845 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.723 2.797 17.390 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.758 3.676 18.559 1.00 0.00 H new ATOM 726 N ILE A 49 -0.827 5.358 16.448 1.00 0.00 N ATOM 727 CA ILE A 49 0.447 6.046 16.328 1.00 0.00 C ATOM 728 C ILE A 49 0.212 7.456 15.782 1.00 0.00 C ATOM 729 O ILE A 49 0.376 8.439 16.502 1.00 0.00 O ATOM 730 CB ILE A 49 1.426 5.219 15.492 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.828 3.938 16.227 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.643 6.053 15.087 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.116 2.806 15.239 1.00 0.00 C ATOM 0 H ILE A 49 -0.956 4.582 15.799 1.00 0.00 H new ATOM 0 HA ILE A 49 0.913 6.156 17.307 1.00 0.00 H new ATOM 0 HB ILE A 49 0.922 4.919 14.573 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.711 4.127 16.837 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.030 3.638 16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.322 5.441 14.494 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.317 6.909 14.497 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.158 6.404 15.982 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.399 1.908 15.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.223 2.604 14.647 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.931 3.099 14.577 1.00 0.00 H new ATOM 745 N THR A 50 -0.170 7.509 14.514 1.00 0.00 N ATOM 746 CA THR A 50 -0.429 8.782 13.864 1.00 0.00 C ATOM 747 C THR A 50 -1.840 9.273 14.197 1.00 0.00 C ATOM 748 O THR A 50 -2.008 10.188 15.002 1.00 0.00 O ATOM 749 CB THR A 50 -0.186 8.605 12.364 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.219 7.716 11.947 1.00 0.00 O ATOM 751 CG2 THR A 50 1.105 7.840 12.066 1.00 0.00 C ATOM 0 H THR A 50 -0.306 6.691 13.920 1.00 0.00 H new ATOM 0 HA THR A 50 0.246 9.557 14.228 1.00 0.00 H new ATOM 0 HB THR A 50 -0.147 9.584 11.885 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.931 6.790 12.089 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.229 7.742 10.988 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.954 8.383 12.481 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.053 6.849 12.516 1.00 0.00 H new ATOM 759 N GLY A 51 -2.817 8.644 13.561 1.00 0.00 N ATOM 760 CA GLY A 51 -4.207 9.005 13.779 1.00 0.00 C ATOM 761 C GLY A 51 -4.823 9.605 12.514 1.00 0.00 C ATOM 762 O GLY A 51 -5.766 10.390 12.591 1.00 0.00 O ATOM 0 H GLY A 51 -2.673 7.886 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.772 8.123 14.080 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.276 9.722 14.597 1.00 0.00 H new ATOM 766 N LYS A 52 -4.264 9.212 11.379 1.00 0.00 N ATOM 767 CA LYS A 52 -4.747 9.701 10.098 1.00 0.00 C ATOM 768 C LYS A 52 -5.948 8.862 9.657 1.00 0.00 C ATOM 769 O LYS A 52 -6.239 7.826 10.253 1.00 0.00 O ATOM 770 CB LYS A 52 -3.611 9.733 9.074 1.00 0.00 C ATOM 771 CG LYS A 52 -2.503 10.693 9.515 1.00 0.00 C ATOM 772 CD LYS A 52 -2.900 12.147 9.249 1.00 0.00 C ATOM 773 CE LYS A 52 -1.677 12.990 8.881 1.00 0.00 C ATOM 774 NZ LYS A 52 -2.042 14.030 7.894 1.00 0.00 N ATOM 0 H LYS A 52 -3.481 8.561 11.319 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.093 10.731 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.201 8.731 8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.000 10.042 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.300 10.556 10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.581 10.460 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.630 12.186 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.381 12.564 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.268 13.458 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.896 12.349 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.201 14.593 7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.411 13.578 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.771 14.652 8.298 1.00 0.00 H new ATOM 788 N ASN A 53 -6.615 9.342 8.617 1.00 0.00 N ATOM 789 CA ASN A 53 -7.778 8.650 8.089 1.00 0.00 C ATOM 790 C ASN A 53 -7.458 7.160 7.947 1.00 0.00 C ATOM 791 O ASN A 53 -6.548 6.785 7.209 1.00 0.00 O ATOM 792 CB ASN A 53 -8.158 9.186 6.708 1.00 0.00 C ATOM 793 CG ASN A 53 -8.485 10.679 6.771 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.636 11.264 7.831 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.585 11.262 5.579 1.00 0.00 N ATOM 0 H ASN A 53 -6.372 10.202 8.126 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.607 8.810 8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.337 9.019 6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.018 8.637 6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.800 12.257 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.447 10.714 4.730 1.00 0.00 H new ATOM 802 N GLN A 54 -8.224 6.352 8.664 1.00 0.00 N ATOM 803 CA GLN A 54 -8.034 4.912 8.627 1.00 0.00 C ATOM 804 C GLN A 54 -7.700 4.457 7.204 1.00 0.00 C ATOM 805 O GLN A 54 -6.641 3.878 6.966 1.00 0.00 O ATOM 806 CB GLN A 54 -9.268 4.182 9.160 1.00 0.00 C ATOM 807 CG GLN A 54 -8.981 2.692 9.358 1.00 0.00 C ATOM 808 CD GLN A 54 -10.273 1.914 9.614 1.00 0.00 C ATOM 809 OE1 GLN A 54 -11.356 2.469 9.697 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.099 0.600 9.733 1.00 0.00 N ATOM 0 H GLN A 54 -8.978 6.667 9.274 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.195 4.659 9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.577 4.625 10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.098 4.307 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.481 2.294 8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.299 2.558 10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.164 0.200 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.901 -0.007 9.904 1.00 0.00 H new ATOM 819 N ASP A 55 -8.623 4.737 6.296 1.00 0.00 N ATOM 820 CA ASP A 55 -8.440 4.364 4.904 1.00 0.00 C ATOM 821 C ASP A 55 -7.018 4.723 4.467 1.00 0.00 C ATOM 822 O ASP A 55 -6.304 3.886 3.918 1.00 0.00 O ATOM 823 CB ASP A 55 -9.417 5.117 3.998 1.00 0.00 C ATOM 824 CG ASP A 55 -9.610 6.595 4.344 1.00 0.00 C ATOM 825 OD1 ASP A 55 -10.301 6.857 5.352 1.00 0.00 O ATOM 826 OD2 ASP A 55 -9.062 7.430 3.592 1.00 0.00 O ATOM 0 H ASP A 55 -9.500 5.218 6.497 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.620 3.293 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.066 5.043 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.386 4.620 4.041 1.00 0.00 H new ATOM 831 N GLU A 56 -6.650 5.969 4.728 1.00 0.00 N ATOM 832 CA GLU A 56 -5.326 6.449 4.368 1.00 0.00 C ATOM 833 C GLU A 56 -4.251 5.577 5.019 1.00 0.00 C ATOM 834 O GLU A 56 -3.278 5.196 4.370 1.00 0.00 O ATOM 835 CB GLU A 56 -5.151 7.918 4.758 1.00 0.00 C ATOM 836 CG GLU A 56 -5.995 8.827 3.862 1.00 0.00 C ATOM 837 CD GLU A 56 -5.215 9.243 2.613 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.593 8.344 2.007 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.258 10.450 2.293 1.00 0.00 O ATOM 0 H GLU A 56 -7.245 6.660 5.184 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.217 6.379 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.440 8.058 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.100 8.197 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.908 8.309 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.297 9.714 4.419 1.00 0.00 H new ATOM 846 N CYS A 57 -4.462 5.287 6.295 1.00 0.00 N ATOM 847 CA CYS A 57 -3.522 4.467 7.041 1.00 0.00 C ATOM 848 C CYS A 57 -3.397 3.116 6.334 1.00 0.00 C ATOM 849 O CYS A 57 -2.291 2.670 6.031 1.00 0.00 O ATOM 850 CB CYS A 57 -3.946 4.309 8.503 1.00 0.00 C ATOM 851 SG CYS A 57 -4.011 5.948 9.316 1.00 0.00 S ATOM 0 H CYS A 57 -5.270 5.605 6.831 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.548 4.955 7.064 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.923 3.828 8.557 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.242 3.662 9.027 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.251 6.288 9.509 1.00 0.00 H new ATOM 857 N VAL A 58 -4.546 2.502 6.093 1.00 0.00 N ATOM 858 CA VAL A 58 -4.579 1.210 5.427 1.00 0.00 C ATOM 859 C VAL A 58 -3.866 1.319 4.078 1.00 0.00 C ATOM 860 O VAL A 58 -3.255 0.357 3.616 1.00 0.00 O ATOM 861 CB VAL A 58 -6.023 0.722 5.303 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.096 -0.578 4.500 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.665 0.551 6.682 1.00 0.00 C ATOM 0 H VAL A 58 -5.461 2.875 6.347 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.048 0.462 6.016 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.587 1.482 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.134 -0.903 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.697 -0.411 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.509 -1.348 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.691 0.203 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.098 -0.179 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.663 1.507 7.205 1.00 0.00 H new ATOM 873 N ILE A 59 -3.969 2.498 3.483 1.00 0.00 N ATOM 874 CA ILE A 59 -3.342 2.745 2.196 1.00 0.00 C ATOM 875 C ILE A 59 -1.837 2.933 2.394 1.00 0.00 C ATOM 876 O ILE A 59 -1.039 2.124 1.922 1.00 0.00 O ATOM 877 CB ILE A 59 -4.020 3.918 1.486 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.480 3.593 1.160 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.234 4.333 0.241 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.330 4.864 1.128 1.00 0.00 C ATOM 0 H ILE A 59 -4.478 3.293 3.869 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.472 1.886 1.538 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.024 4.771 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.537 3.088 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.878 2.904 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.737 5.169 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.227 4.634 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.177 3.492 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.363 4.605 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.290 5.353 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.944 5.541 0.366 1.00 0.00 H new ATOM 892 N ALA A 60 -1.494 4.005 3.093 1.00 0.00 N ATOM 893 CA ALA A 60 -0.098 4.309 3.359 1.00 0.00 C ATOM 894 C ALA A 60 0.612 3.044 3.845 1.00 0.00 C ATOM 895 O ALA A 60 1.794 2.846 3.568 1.00 0.00 O ATOM 896 CB ALA A 60 -0.009 5.453 4.372 1.00 0.00 C ATOM 0 H ALA A 60 -2.158 4.674 3.483 1.00 0.00 H new ATOM 0 HA ALA A 60 0.403 4.639 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.038 5.681 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.502 6.337 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.499 5.157 5.299 1.00 0.00 H new ATOM 902 N LEU A 61 -0.140 2.220 4.562 1.00 0.00 N ATOM 903 CA LEU A 61 0.403 0.980 5.089 1.00 0.00 C ATOM 904 C LEU A 61 0.759 0.050 3.927 1.00 0.00 C ATOM 905 O LEU A 61 1.931 -0.245 3.701 1.00 0.00 O ATOM 906 CB LEU A 61 -0.564 0.359 6.099 1.00 0.00 C ATOM 907 CG LEU A 61 -0.042 -0.858 6.866 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.428 -0.676 7.249 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.919 -1.156 8.084 1.00 0.00 C ATOM 0 H LEU A 61 -1.120 2.388 4.790 1.00 0.00 H new ATOM 0 HA LEU A 61 1.324 1.171 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.846 1.125 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.473 0.069 5.571 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.098 -1.726 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.774 -1.555 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.026 -0.549 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.533 0.206 7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.526 -2.025 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.918 -0.295 8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.939 -1.360 7.757 1.00 0.00 H new ATOM 921 N HIS A 62 -0.274 -0.386 3.222 1.00 0.00 N ATOM 922 CA HIS A 62 -0.085 -1.277 2.089 1.00 0.00 C ATOM 923 C HIS A 62 0.849 -0.620 1.071 1.00 0.00 C ATOM 924 O HIS A 62 1.852 -1.211 0.673 1.00 0.00 O ATOM 925 CB HIS A 62 -1.431 -1.680 1.485 1.00 0.00 C ATOM 926 CG HIS A 62 -1.327 -2.292 0.108 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.552 -3.636 -0.134 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.022 -1.730 -1.096 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.386 -3.862 -1.428 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.057 -2.680 -2.023 1.00 0.00 N ATOM 0 H HIS A 62 -1.245 -0.139 3.413 1.00 0.00 H new ATOM 0 HA HIS A 62 0.389 -2.200 2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.919 -2.391 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.072 -0.800 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.791 -0.689 -1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.492 -4.815 -1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.869 -2.547 -3.017 1.00 0.00 H new ATOM 938 N ASP A 63 0.487 0.592 0.679 1.00 0.00 N ATOM 939 CA ASP A 63 1.280 1.335 -0.286 1.00 0.00 C ATOM 940 C ASP A 63 2.766 1.135 0.021 1.00 0.00 C ATOM 941 O ASP A 63 3.555 0.845 -0.877 1.00 0.00 O ATOM 942 CB ASP A 63 0.979 2.833 -0.209 1.00 0.00 C ATOM 943 CG ASP A 63 1.296 3.622 -1.481 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.497 3.889 -1.699 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.329 3.940 -2.207 1.00 0.00 O ATOM 0 H ASP A 63 -0.345 1.079 1.012 1.00 0.00 H new ATOM 0 HA ASP A 63 1.031 0.968 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.077 2.965 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.547 3.261 0.617 1.00 0.00 H new ATOM 950 N CYS A 64 3.103 1.298 1.292 1.00 0.00 N ATOM 951 CA CYS A 64 4.480 1.139 1.727 1.00 0.00 C ATOM 952 C CYS A 64 4.872 -0.330 1.554 1.00 0.00 C ATOM 953 O CYS A 64 5.675 -0.663 0.684 1.00 0.00 O ATOM 954 CB CYS A 64 4.676 1.615 3.168 1.00 0.00 C ATOM 955 SG CYS A 64 5.657 3.160 3.188 1.00 0.00 S ATOM 0 H CYS A 64 2.446 1.539 2.034 1.00 0.00 H new ATOM 0 HA CYS A 64 5.132 1.763 1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.708 1.783 3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.183 0.845 3.749 1.00 0.00 H new ATOM 0 HG CYS A 64 6.820 2.943 2.649 1.00 0.00 H new ATOM 961 N ASN A 65 4.287 -1.169 2.396 1.00 0.00 N ATOM 962 CA ASN A 65 4.565 -2.594 2.346 1.00 0.00 C ATOM 963 C ASN A 65 3.962 -3.270 3.579 1.00 0.00 C ATOM 964 O ASN A 65 4.587 -4.143 4.181 1.00 0.00 O ATOM 965 CB ASN A 65 6.071 -2.862 2.349 1.00 0.00 C ATOM 966 CG ASN A 65 6.453 -3.859 1.253 1.00 0.00 C ATOM 967 OD1 ASN A 65 6.690 -3.504 0.110 1.00 0.00 O ATOM 968 ND2 ASN A 65 6.499 -5.123 1.664 1.00 0.00 N ATOM 0 H ASN A 65 3.622 -0.889 3.117 1.00 0.00 H new ATOM 0 HA ASN A 65 4.130 -2.990 1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.611 -1.927 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.373 -3.252 3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.744 -5.864 1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.289 -5.351 2.636 1.00 0.00 H new ATOM 975 N GLY A 66 2.756 -2.842 3.920 1.00 0.00 N ATOM 976 CA GLY A 66 2.062 -3.395 5.070 1.00 0.00 C ATOM 977 C GLY A 66 2.839 -3.126 6.360 1.00 0.00 C ATOM 978 O GLY A 66 2.535 -3.703 7.404 1.00 0.00 O ATOM 0 H GLY A 66 2.241 -2.118 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.066 -2.958 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.930 -4.469 4.938 1.00 0.00 H new ATOM 982 N ASP A 67 3.828 -2.251 6.247 1.00 0.00 N ATOM 983 CA ASP A 67 4.651 -1.900 7.391 1.00 0.00 C ATOM 984 C ASP A 67 4.116 -0.614 8.023 1.00 0.00 C ATOM 985 O ASP A 67 3.867 0.369 7.326 1.00 0.00 O ATOM 986 CB ASP A 67 6.101 -1.652 6.971 1.00 0.00 C ATOM 987 CG ASP A 67 7.100 -2.713 7.437 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.213 -3.736 6.727 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.728 -2.477 8.492 1.00 0.00 O ATOM 0 H ASP A 67 4.077 -1.775 5.380 1.00 0.00 H new ATOM 0 HA ASP A 67 4.617 -2.729 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.143 -1.588 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.415 -0.683 7.359 1.00 0.00 H new ATOM 994 N VAL A 68 3.953 -0.661 9.337 1.00 0.00 N ATOM 995 CA VAL A 68 3.452 0.488 10.072 1.00 0.00 C ATOM 996 C VAL A 68 4.528 1.574 10.108 1.00 0.00 C ATOM 997 O VAL A 68 4.225 2.759 9.970 1.00 0.00 O ATOM 998 CB VAL A 68 2.990 0.058 11.465 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.019 1.236 12.441 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.597 -0.574 11.411 1.00 0.00 C ATOM 0 H VAL A 68 4.159 -1.478 9.912 1.00 0.00 H new ATOM 0 HA VAL A 68 2.581 0.910 9.572 1.00 0.00 H new ATOM 0 HB VAL A 68 3.687 -0.697 11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.686 0.903 13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.035 1.623 12.514 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.356 2.023 12.081 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.293 -0.871 12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.884 0.149 11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.620 -1.451 10.765 1.00 0.00 H new ATOM 1010 N ASN A 69 5.764 1.133 10.293 1.00 0.00 N ATOM 1011 CA ASN A 69 6.887 2.053 10.348 1.00 0.00 C ATOM 1012 C ASN A 69 7.032 2.755 8.997 1.00 0.00 C ATOM 1013 O ASN A 69 6.958 3.981 8.920 1.00 0.00 O ATOM 1014 CB ASN A 69 8.193 1.310 10.638 1.00 0.00 C ATOM 1015 CG ASN A 69 9.075 2.108 11.600 1.00 0.00 C ATOM 1016 OD1 ASN A 69 10.011 2.786 11.209 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.727 1.989 12.878 1.00 0.00 N ATOM 0 H ASN A 69 6.012 0.150 10.407 1.00 0.00 H new ATOM 0 HA ASN A 69 6.696 2.772 11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.972 0.333 11.067 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.731 1.135 9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.255 2.482 13.598 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.932 1.405 13.138 1.00 0.00 H new ATOM 1024 N ARG A 70 7.237 1.949 7.966 1.00 0.00 N ATOM 1025 CA ARG A 70 7.393 2.479 6.622 1.00 0.00 C ATOM 1026 C ARG A 70 6.284 3.487 6.316 1.00 0.00 C ATOM 1027 O ARG A 70 6.551 4.572 5.800 1.00 0.00 O ATOM 1028 CB ARG A 70 7.355 1.358 5.580 1.00 0.00 C ATOM 1029 CG ARG A 70 8.544 0.411 5.751 1.00 0.00 C ATOM 1030 CD ARG A 70 9.783 0.951 5.034 1.00 0.00 C ATOM 1031 NE ARG A 70 10.898 -0.016 5.152 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.167 0.258 4.822 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.491 1.470 4.352 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.113 -0.681 4.962 1.00 0.00 N ATOM 0 H ARG A 70 7.299 0.933 8.034 1.00 0.00 H new ATOM 0 HA ARG A 70 8.363 2.974 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.424 0.799 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.368 1.787 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.761 0.282 6.811 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.290 -0.572 5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.556 1.130 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.074 1.909 5.465 1.00 0.00 H new ATOM 0 HE ARG A 70 10.687 -0.949 5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.771 2.185 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.457 1.678 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.867 -1.604 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.079 -0.473 4.711 1.00 0.00 H new ATOM 1048 N ALA A 71 5.063 3.094 6.647 1.00 0.00 N ATOM 1049 CA ALA A 71 3.912 3.950 6.414 1.00 0.00 C ATOM 1050 C ALA A 71 4.101 5.267 7.170 1.00 0.00 C ATOM 1051 O ALA A 71 3.981 6.344 6.587 1.00 0.00 O ATOM 1052 CB ALA A 71 2.636 3.216 6.832 1.00 0.00 C ATOM 0 H ALA A 71 4.845 2.194 7.075 1.00 0.00 H new ATOM 0 HA ALA A 71 3.819 4.188 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.773 3.858 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.533 2.303 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.692 2.964 7.891 1.00 0.00 H new ATOM 1058 N ILE A 72 4.392 5.138 8.456 1.00 0.00 N ATOM 1059 CA ILE A 72 4.598 6.305 9.297 1.00 0.00 C ATOM 1060 C ILE A 72 5.494 7.305 8.563 1.00 0.00 C ATOM 1061 O ILE A 72 5.181 8.493 8.498 1.00 0.00 O ATOM 1062 CB ILE A 72 5.135 5.889 10.668 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.013 5.343 11.553 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.884 7.043 11.337 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.559 4.349 12.580 1.00 0.00 C ATOM 0 H ILE A 72 4.490 4.243 8.936 1.00 0.00 H new ATOM 0 HA ILE A 72 3.650 6.808 9.491 1.00 0.00 H new ATOM 0 HB ILE A 72 5.853 5.081 10.523 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.517 6.166 12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.261 4.855 10.933 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.255 6.720 12.310 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.723 7.344 10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.208 7.888 11.469 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.741 3.976 13.196 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.033 3.515 12.063 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.293 4.847 13.214 1.00 0.00 H new ATOM 1077 N ASN A 73 6.591 6.788 8.030 1.00 0.00 N ATOM 1078 CA ASN A 73 7.535 7.621 7.304 1.00 0.00 C ATOM 1079 C ASN A 73 6.780 8.447 6.259 1.00 0.00 C ATOM 1080 O ASN A 73 7.117 9.605 6.017 1.00 0.00 O ATOM 1081 CB ASN A 73 8.573 6.768 6.572 1.00 0.00 C ATOM 1082 CG ASN A 73 9.952 6.910 7.219 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.713 7.817 6.927 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.231 5.964 8.111 1.00 0.00 N ATOM 0 H ASN A 73 6.848 5.802 8.086 1.00 0.00 H new ATOM 0 HA ASN A 73 8.040 8.265 8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.266 5.722 6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.625 7.070 5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.128 5.970 8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.548 5.232 8.309 1.00 0.00 H new ATOM 1091 N VAL A 74 5.775 7.818 5.668 1.00 0.00 N ATOM 1092 CA VAL A 74 4.970 8.480 4.656 1.00 0.00 C ATOM 1093 C VAL A 74 3.886 9.317 5.338 1.00 0.00 C ATOM 1094 O VAL A 74 3.747 10.507 5.058 1.00 0.00 O ATOM 1095 CB VAL A 74 4.402 7.447 3.681 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.579 8.124 2.583 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.517 6.589 3.080 1.00 0.00 C ATOM 0 H VAL A 74 5.500 6.857 5.871 1.00 0.00 H new ATOM 0 HA VAL A 74 5.583 9.161 4.067 1.00 0.00 H new ATOM 0 HB VAL A 74 3.737 6.789 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.187 7.367 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.751 8.671 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.212 8.817 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.086 5.863 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.218 7.228 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.042 6.064 3.878 1.00 0.00 H new ATOM 1107 N LEU A 75 3.146 8.663 6.221 1.00 0.00 N ATOM 1108 CA LEU A 75 2.079 9.331 6.945 1.00 0.00 C ATOM 1109 C LEU A 75 2.612 10.637 7.539 1.00 0.00 C ATOM 1110 O LEU A 75 2.003 11.693 7.373 1.00 0.00 O ATOM 1111 CB LEU A 75 1.464 8.390 7.983 1.00 0.00 C ATOM 1112 CG LEU A 75 0.401 7.421 7.462 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.249 6.219 8.396 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.931 8.139 7.232 1.00 0.00 C ATOM 0 H LEU A 75 3.265 7.676 6.451 1.00 0.00 H new ATOM 0 HA LEU A 75 1.267 9.595 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.266 7.808 8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.020 8.994 8.774 1.00 0.00 H new ATOM 0 HG LEU A 75 0.732 7.039 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.513 5.546 8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.199 5.690 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.048 6.563 9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.669 7.427 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.280 8.568 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.794 8.934 6.499 1.00 0.00 H new ATOM 1126 N LEU A 76 3.743 10.522 8.219 1.00 0.00 N ATOM 1127 CA LEU A 76 4.365 11.680 8.838 1.00 0.00 C ATOM 1128 C LEU A 76 4.619 12.748 7.772 1.00 0.00 C ATOM 1129 O LEU A 76 4.039 13.832 7.823 1.00 0.00 O ATOM 1130 CB LEU A 76 5.622 11.267 9.606 1.00 0.00 C ATOM 1131 CG LEU A 76 5.391 10.643 10.984 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.686 10.050 11.541 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.763 11.654 11.945 1.00 0.00 C ATOM 0 H LEU A 76 4.245 9.645 8.355 1.00 0.00 H new ATOM 0 HA LEU A 76 3.697 12.120 9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.179 10.556 8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.254 12.146 9.729 1.00 0.00 H new ATOM 0 HG LEU A 76 4.683 9.822 10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.494 9.613 12.521 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.053 9.278 10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.435 10.836 11.635 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.609 11.185 12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.427 12.511 12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.804 11.987 11.547 1.00 0.00 H new